methyl (3R,4R,5S)-4-cyano-3,5-dimethyl-3-(4-nitrophenyl)-5-phenyl-pyrazole-4-carboxylate

Systemtic Name: methyl (3R,4R,5S)-4-cyano-3,5-dimethyl-3-(4-nitrophenyl)-5-phenyl-pyrazole-4-carboxylate Openeye Name: methyl (3R,4R,5S)-4-cyano-3,5-dimethyl-3-(4-nitrophenyl)-5-phenyl-pyrazole-4-carboxylate CAS Name: (3R,4R,5S)-4-cyano-3,5-dimethyl-3-(4-nitrophenyl)-5-phenyl-4-pyrazolecarboxylic acid methyl ester IUPAC Name: methyl (3R,4R,5S)-4-cyano-3,5-dimethyl-3-(4-nitrophenyl)-5-phenylpyrazole-4-carboxylate Traditional Name: (3R,4R,5S)-4-cyano-3,5-dimethyl-3-(4-nitrophenyl)-5-phenyl-1-pyrazoline-4-carboxylic acid methyl ester Formula: C20H18N4O4 MolecularWeight: 378.38132

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C(C(N=N1)(C)C2=CC=C(C=C2)[N+](=O)[O-])(C#N)C(=O)OC)C3=CC=CC=C3

Isomeric SMILES

C[C@@]1([C@@]([C@@](N=N1)(C)C2=CC=C(C=C2)[N+](=O)[O-])(C#N)C(=O)OC)C3=CC=CC=C3

InChI

InChI=1S/C20H18N4O4/c1-18(14-7-5-4-6-8-14)20(13-21,17(25)28-3)19(2,23-22-18)15-9-11-16(12-10-15)24(26)27/h4-12H,1-3H3/t18-,19+,20+/m0/s1